Figure 3.

CAPRI protein–protein docking results. (a) (i): Energy spectrum of models generated in global docking calculations carried out before experimental structures were released; (ii) free energy landscape mapped out by starting trajectories at lowest energy points sampled in global docking runs. (b): comparison of predicted (blue) rigid body orientation with X-ray crystal structure (red and yellow). (c): close up of interface showing that in addition to the rigid body orientation also the detailed conformations of the sidechains were correctly predicted. The predicted models are those submitted to the CAPRI organizers and are the lowest energy models found in the global and local searches shown on the (a).